Compound Identification
SMILES
O=C1SC2=CC3=C(OCO3)C=C2C(=O)N2CCCC12
InChIKey
InChIKey=WGNRQOXCQAGYDJ-UHFFFAOYSA-N
Formula
C13H11NO4S
Mass
277.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Alpha amino acids and derivatives Benzodioxoles Aryl thioethers Benzenoids Tertiary carboxylic acid amides Pyrrolidines Carbothioic S-lactones Thioesters Lactams Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Alpha-amino acid or derivatives - Benzodioxole - Aryl thioether - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carbothioic s-lactone - Carboxamide group - Lactam - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available